64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=11.132178575129396 stress="-0.0001126940556274591 -6.7861022860492145e-06 1.4996328029053041e-06 -6.7861022860492145e-06 -0.000146782482332787 -2.6372717098418637e-05 1.4996328029053041e-06 -2.6372717098418637e-05 -0.0001287780706462746" free_energy=11.132178575129396 pbc="F F F" Si 34.89459011 35.58206287 34.87464005 -0.47605290 0.00183762 -0.61185875 Si 36.45449144 36.08715790 36.80415317 -3.14536616 -0.34920698 -2.14267386 O 37.43536694 37.54187390 34.81531496 0.55964275 0.41245056 1.86319794 Si 38.24867609 38.32567139 35.98203926 -1.01516099 0.11633938 -2.89814021 O 37.41172819 35.42903887 37.58996423 2.96285801 1.94543808 1.86165676 Si 38.73333642 36.33692648 38.30369543 0.90203919 -4.56926674 0.43818950 O 34.86813106 37.98610883 37.01058822 1.89324143 0.07701894 0.87452364 Si 36.10135932 38.38498154 38.23727877 -3.53233369 0.88643530 -1.52779672 Si 39.97409964 34.84075874 34.90820050 1.28568869 1.05455428 0.53338408 O 40.81987063 36.12614791 35.76626284 -3.01522408 -1.39759085 0.64619097 O 42.41445021 37.17191986 34.70343381 1.26299808 1.25150707 -0.61338392 Si 44.00952489 39.12356737 36.85414062 2.17908660 -0.55764512 -1.24402151 O 42.69470901 35.05276423 37.59658177 0.39866535 0.72057096 0.97828470 Si 43.33004603 36.33669859 39.00909051 -0.94611325 0.26751643 0.42570039 Si 39.89878546 37.78489687 37.44629530 2.60297819 -0.60860294 -1.52476008 O 40.99528402 38.96223767 38.82023254 0.67497914 -0.43665834 -3.83436637 Si 35.14226304 40.67957631 34.97975650 -0.44875882 -0.72753520 -1.57655305 Si 36.50424669 41.47143289 36.60886605 2.48103574 0.14531754 -0.81245089 O 37.54610804 42.11907655 34.89760706 -1.07207796 -1.04855589 0.87382824 O 38.98975929 43.97971605 36.22598681 0.68596431 -0.40703814 0.61117142 O 38.07760178 40.41059779 37.48116017 -0.08246692 0.11124419 1.05717953 Si 38.66085160 41.41091767 38.82356679 -0.56135439 1.09522367 0.80250195 Si 34.96802350 42.55253863 37.08347222 -1.06004684 1.78172012 1.29477714 O 36.43261332 43.26911666 39.10764363 -1.57840111 -0.19790386 -1.43444818 Si 40.35597799 40.73844663 34.79273725 -0.49457367 -0.24638296 0.07212431 O 40.91065788 41.24168362 36.59637891 2.82285344 -8.85493707 -6.87087659 Si 42.60644329 42.05029493 34.93814089 0.88783963 1.04889675 0.07202754 O 43.68324600 43.93663569 36.24004910 -0.56704734 -0.56822315 -0.21523029 Si 42.80883634 39.54800556 37.87229896 -1.18983617 1.36722865 3.38592675 O 44.16500776 40.82623522 38.67472124 -0.57482218 -1.44393674 -1.55314033 Si 40.54681668 42.30504928 37.24070894 -3.33067175 9.48115252 5.45007120 Si 41.53486626 43.94286576 38.80349892 1.24647860 -0.13292994 1.47434232 O 34.51994484 34.77008125 40.29874471 1.00913754 0.88503399 0.89653041 Si 35.75374871 35.85761187 41.65069931 -2.54479311 -1.98918375 -1.91748609 Si 37.53651833 37.61333207 39.47432962 -0.16475156 -0.38600489 0.86481165 Si 38.54814022 38.60993396 41.74557949 4.67239205 -0.90426751 2.03528714 Si 37.44645137 35.19113505 42.15787762 2.49529302 -1.63584381 0.78694451 O 38.63898356 37.01807028 43.87696293 -2.11237313 -0.44805860 -0.45380527 Si 34.98578387 37.45893958 42.96240452 -3.25484988 -0.89843241 0.64212091 Si 36.27153045 38.58445012 43.35421160 0.52850769 0.15766873 3.38536423 O 39.84944110 34.84136491 40.02859017 -0.80081454 -0.26713486 -0.46382025 O 40.85413806 36.69758804 41.02778404 -0.06745475 -1.33280475 -0.12122988 O 42.63373396 37.62245546 39.85593507 -0.55448867 -4.75956614 -5.36358288 O 43.45925024 38.81189841 41.07669840 2.69223570 3.55783514 3.71864764 Si 41.89107799 35.00972659 41.78860863 -0.74731174 1.41299344 -0.25746863 O 43.76302360 36.33660019 43.69795186 -0.02889130 -0.31714120 -0.13475063 O 40.11876467 38.26218268 42.46959328 -10.86439149 1.34433208 -14.80082159 O 41.00512234 38.33435622 43.87133246 9.09094756 1.30902078 13.94852400 O 35.19518869 40.21071743 40.40985097 1.16538017 0.26607438 1.02940788 Si 36.25635666 41.78523391 41.45357008 2.41571397 0.51990182 -2.50221647 O 37.94138345 42.25058087 40.43113249 -2.11716554 -12.23986488 -3.82919740 O 38.27564792 43.83901493 41.07807814 -0.82167001 10.56775230 2.62689881 Si 37.03112082 39.67420956 42.38465067 1.76962215 3.78923221 0.18402645 O 38.14959794 40.96270149 43.19960017 -1.73119628 -1.43364333 -0.98444768 Si 34.71830078 42.53371249 42.11162567 -1.98241231 0.79323416 -0.00914293 Si 36.91744528 43.98698351 43.87327903 0.77137508 0.34088213 0.08233354 Si 40.13412559 39.36312973 39.82540270 0.69099584 1.84334947 4.41632818 O 41.74568208 41.08895030 40.85241932 -2.83620124 -4.03417511 2.50224073 O 42.61570129 42.58709541 40.01068003 -0.45285803 3.48805152 -3.81709653 O 44.11227261 43.80780282 40.91206204 1.47698316 1.53217978 1.00832306 Si 42.66850173 40.57251956 42.94281378 0.81450468 0.06278331 -0.35911004 O 43.75047529 41.59149871 43.94866625 -1.14555684 -0.78441984 -0.75624116 O 39.89372835 43.37674363 42.19341918 3.90574238 -0.64988759 3.17502790 Si 41.05413047 43.32768344 43.27860430 -1.02769152 -0.00793469 -1.38777724